Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM130420
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
IC50
0.492±n/a nM
Citation
 Anselm, L; Banner, D; Haap, W; Kuhn, B; Luebbers, T; Peters, J; Spinnler, B Azetidine derivatives US Patent  US8822505 Publication Date 9/2/2014 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM130420
Synonyms:
US8822505, 22 | US8822505, 25 | US8822505, 26
Type:
Small organic molecule
Emp. Form.:
C29H29BrClF2N5O6S
Mol. Mass.:
728.989
SMILES:
CC(C)(C)OC(=O)N1CCC1(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(F)cc1Cl)c1ncc(Br)cc1F |r|
Structure:
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